2XCK
Crystal structure of PDK1 in complex with a pyrazoloquinazoline inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-03-01 |
Detector | ADSC CCD |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 123.115, 123.115, 47.240 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 2.300 |
R-factor | 0.19495 |
Rwork | 0.193 |
R-free | 0.23969 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1h1w |
RMSD bond length | 0.018 |
RMSD bond angle | 1.701 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.400 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.100 | 0.510 |
Number of reflections | 18571 | |
<I/σ(I)> | 8.1 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.5 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 2.0 M AMMONIUM SULFATE, 0.1 M TRIS PH 8.5 |